General Information of the Compound
| Compound ID |
CP0502219
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| Compound Name |
2-(N-(2-cyano-5-(dimethylamino)phenyl)-3,4-dimethoxyphenylsulfonamido)-N,N-diethylacetamide
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| Structure |
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| Formula |
C23H30N4O5S
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| Molecular Weight |
474.583
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| Canonical SMILES |
CCN(CC)C(=O)CN(c1cc(ccc1C#N)N(C)C)S(=O)(=O)c1ccc(OC)c(OC)c1
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| InChI |
InChI=1S/C23H30N4O5S/c1-7-26(8-2)23(28)16-27(20-13-18(25(3)4)10-9-17(20)15-24)33(29,30)19-11-12-21(31-5)22(14-19)32-6/h9-14H,7-8,16H2,1-6H3
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| InChIKey |
TXVUGXYXNQGGID-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01132, Orexin receptor type 2
Protein ID: PT02001, Orexin/Hypocretin receptor type 1